1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane

C25H46O — CID 57274061

IUPAC1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane
SMILESCCCC=CC1CCC(CCC2CCC(OCCCCCC)CC2)CC1
InChIInChI=1S/C25H46O/c1-3-5-7-9-21-26-25-19-17-24(18-20-25)16-15-23-13-11-22(12-14-23)10-8-6-4-2/h8,10,22-25H,3-7,9,11-21H2,1-2H3
InChIKeyAHVVTVSNSBIDMF-UHFFFAOYSA-N
MW362.64 g/mol
LogP8.09
Rot. Bonds12

About 1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane

1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane (PubChem CID 57274061) has the molecular formula C25H46O and a molecular weight of 362.64 g/mol. Its IUPAC name is 1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane
PubChem CID57274061
Molecular FormulaC25H46O
Molecular Weight362.64 g/mol
Exact Mass362.35
IUPAC Name1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane
SMILESCCCC=CC1CCC(CCC2CCC(OCCCCCC)CC2)CC1
InChIInChI=1S/C25H46O/c1-3-5-7-9-21-26-25-19-17-24(18-20-25)16-15-23-13-11-22(12-14-23)10-8-6-4-2/h8,10,22-25H,3-7,9,11-21H2,1-2H3
InChIKeyAHVVTVSNSBIDMF-UHFFFAOYSA-N
XLogP8.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-1-enyl]-4-[2-(4-pentoxycyclohexyl)ethyl]cyclohexane
CID 19380357
1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane
CID 19380399
1-hexoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19380514
1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane
CID 57154676
1-hexoxy-4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]cyclohexane
CID 67806291
1-butoxy-4-(4-hex-1-enylcyclohexyl)cyclohexane
CID 57181103
1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
CID 19380462
1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane
CID 67864187
1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane
CID 19738835
1-[(E)-hex-3-enyl]-4-(4-pentoxycyclohexyl)cyclohexane
CID 67805707
heptoxycyclopropane
CID 54099544
1-but-3-enyl-4-(4-pentoxycyclohexyl)cyclohexane
CID 19380422

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane (CID 57274061) is 1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane is CCCC=CC1CCC(CCC2CCC(OCCCCCC)CC2)CC1.
What is the InChIKey of 1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane?
The InChIKey is AHVVTVSNSBIDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O/c1-3-5-7-9-21-26-25-19-17-24(18-20-25)16-15-23-13-11-22(12-14-23)10-8-6-4-2/h8,10,22-25H,3-7,9,11-21H2,1-2H3.
What are the key properties of 1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane?
1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane has a molecular weight of 362.64 g/mol, XLogP of 8.09, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 57274061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).